SCHEMBL3099677

SCHEMBL3099677

CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cccc(Br)c4)ccc3=O)c2)nc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 17/20 0.82
▸ NQO2 P16083 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3089413 0.91 MET (0.85) METNQO2
SCHEMBL3087171 0.90 MET (1.00) METNQO2
SCHEMBL13152759 0.90 MET (1.00) METNQO2
SCHEMBL3077322 0.90 MET (0.82) METNQO2
SCHEMBL3090717 0.89 MET (1.00) MET
SCHEMBL3101965 0.89 MET (0.87) METNQO2
SCHEMBL3102320 0.89 MET (0.81) METNQO2MEN1KMT2A
SCHEMBL3092280 0.89 MET (1.00) METNQO2
SCHEMBL3084073 0.88 MET (0.80) METNQO2
SCHEMBL3087196 0.88 MET (0.85) METNQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP claimed
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 — — US claimed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 — — US claimed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 — — US claimed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP claimed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 — — US claimed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 — — US claimed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US claimed
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 — — EP disclosed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 562/4885MEN1 164/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 558/4885MEN1 173/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885NQO2 541/4885MEN1 221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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